| SpectraBase Spectrum ID |
6ndDYMUrRpf |
| Name |
Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.025382318 u |
| Formula |
C18H10F14O6 |
| InChI |
InChI=1S/C18H10F14O6/c1-3-36-10(33)9-6(2)4-7(37-11(34)13(19,20)15(23,24)17(27,28)29)5-8(9)38-12(35)14(21,22)16(25,26)18(30,31)32/h4-5H,3H2,1-2H3 |
| InChIKey |
VAQTXBNLBUDPFG-UHFFFAOYSA-N |
| Molecular Weight |
588.250 g/mol |
| SMILES |
C(OCC)(=O)C1=C(C)C=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910875 |
